6-(aminomethyl)-5-hydroxy-3-(trifluoromethoxy)-1H-pyridin-2-one

C7H7F3N2O3 — CID 131614037

IUPAC6-(aminomethyl)-5-hydroxy-3-(trifluoromethoxy)-1H-pyridin-2-one
SMILESNCc1[nH]c(=O)c(OC(F)(F)F)cc1O
InChIInChI=1S/C7H7F3N2O3/c8-7(9,10)15-5-1-4(13)3(2-11)12-6(5)14/h1,13H,2,11H2,(H,12,14)
InChIKeyVOJMCBBIDAZQBQ-UHFFFAOYSA-N
MW224.14 g/mol
LogP0.44
Rot. Bonds2

About 6-(aminomethyl)-5-hydroxy-3-(trifluoromethoxy)-1H-pyridin-2-one

6-(aminomethyl)-5-hydroxy-3-(trifluoromethoxy)-1H-pyridin-2-one (PubChem CID 131614037) has the molecular formula C7H7F3N2O3 and a molecular weight of 224.14 g/mol. Its IUPAC name is 6-(aminomethyl)-5-hydroxy-3-(trifluoromethoxy)-1H-pyridin-2-one.

Molecular Properties

Compound Name6-(aminomethyl)-5-hydroxy-3-(trifluoromethoxy)-1H-pyridin-2-one
PubChem CID131614037
Molecular FormulaC7H7F3N2O3
Molecular Weight224.14 g/mol
Exact Mass224.04
IUPAC Name6-(aminomethyl)-5-hydroxy-3-(trifluoromethoxy)-1H-pyridin-2-one
SMILESNCc1[nH]c(=O)c(OC(F)(F)F)cc1O
InChIInChI=1S/C7H7F3N2O3/c8-7(9,10)15-5-1-4(13)3(2-11)12-6(5)14/h1,13H,2,11H2,(H,12,14)
InChIKeyVOJMCBBIDAZQBQ-UHFFFAOYSA-N
XLogP0.44
TPSA88.34 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.14
LogP ≤ 50.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(aminomethyl)-5-hydroxy-3-(trifluoromethoxy)-1H-pyridin-2-one?
The IUPAC name of 6-(aminomethyl)-5-hydroxy-3-(trifluoromethoxy)-1H-pyridin-2-one (CID 131614037) is 6-(aminomethyl)-5-hydroxy-3-(trifluoromethoxy)-1H-pyridin-2-one.
What is the SMILES notation for 6-(aminomethyl)-5-hydroxy-3-(trifluoromethoxy)-1H-pyridin-2-one?
The canonical SMILES for 6-(aminomethyl)-5-hydroxy-3-(trifluoromethoxy)-1H-pyridin-2-one is NCc1[nH]c(=O)c(OC(F)(F)F)cc1O.
What is the InChIKey of 6-(aminomethyl)-5-hydroxy-3-(trifluoromethoxy)-1H-pyridin-2-one?
The InChIKey is VOJMCBBIDAZQBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F3N2O3/c8-7(9,10)15-5-1-4(13)3(2-11)12-6(5)14/h1,13H,2,11H2,(H,12,14).
What are the key properties of 6-(aminomethyl)-5-hydroxy-3-(trifluoromethoxy)-1H-pyridin-2-one?
6-(aminomethyl)-5-hydroxy-3-(trifluoromethoxy)-1H-pyridin-2-one has a molecular weight of 224.14 g/mol, XLogP of 0.44, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(aminomethyl)-5-hydroxy-3-(trifluoromethoxy)-1H-pyridin-2-one is sourced from PubChem (CID 131614037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).